SCHEMBL836751

SCHEMBL836751

COc1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.67
CYP11B1 P15538 2/20 0.67
NR3C1 P04150 16/20 0.58
PGR P06401 4/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4784971 0.92 NR3C1 (0.63) CYP11B2CYP11B1NR3C1PGR
SCHEMBL6282015 0.92 CYP11B1 (0.61) CYP11B2CYP11B1NR3C1PGR
SCHEMBL30947618 0.88 CYP11B1 (0.56) CYP11B2CYP11B1NR3C1PGR
SCHEMBL4283376 0.85 NR3C1 (0.77) CYP11B2CYP11B1NR3C1PGR
SCHEMBL27724733 0.84 NR3C1 (0.60) CYP11B2CYP11B1NR3C1PGR
SCHEMBL5135413 0.82 CYP11B2 (0.71) CYP11B2CYP11B1NR3C1PGR
SCHEMBL835532 0.82 NR3C1 (0.69) NR3C1PGR
SCHEMBL4231112 0.82 NR3C1 (0.63) NR3C1PGR
SCHEMBL22225746 0.81 NR3C1 (0.74) CYP11B2CYP11B1NR3C1PGR
SCHEMBL27787555 0.81 NR3C1 (0.55) CYP11B2CYP11B1NR3C1PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
CN-101573340-A Modulators of glucocorticoid receptor AP-1 and/or NF-kB activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-11-04 CN disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 WO disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B2 3/4885CYP11B1 10/4885NR3C1 2841/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B2 3/4885CYP11B1 10/4885NR3C1 2841/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B2 3/4885CYP11B1 10/4885NR3C1 2841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.